diheptyl-sulfanyl-sulfanylidene-λ5-phosphane

C14H31PS2 — CID 15607609

IUPACdiheptyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCP(=S)(S)CCCCCCC
InChIInChI=1S/C14H31PS2/c1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKeyZRKOOAOEXPXYLA-UHFFFAOYSA-N
MW294.51 g/mol
LogP6.25
Rot. Bonds12

About diheptyl-sulfanyl-sulfanylidene-λ5-phosphane

diheptyl-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 15607609) has the molecular formula C14H31PS2 and a molecular weight of 294.51 g/mol. Its IUPAC name is diheptyl-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediheptyl-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID15607609
Molecular FormulaC14H31PS2
Molecular Weight294.51 g/mol
Exact Mass294.16
IUPAC Namediheptyl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCCCCCP(=S)(S)CCCCCCC
InChIInChI=1S/C14H31PS2/c1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKeyZRKOOAOEXPXYLA-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.51
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diheptyl-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of diheptyl-sulfanyl-sulfanylidene-λ5-phosphane (CID 15607609) is diheptyl-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diheptyl-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for diheptyl-sulfanyl-sulfanylidene-λ5-phosphane is CCCCCCCP(=S)(S)CCCCCCC.
What is the InChIKey of diheptyl-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZRKOOAOEXPXYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31PS2/c1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2/h3-14H2,1-2H3,(H,16,17).
What are the key properties of diheptyl-sulfanyl-sulfanylidene-λ5-phosphane?
diheptyl-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 294.51 g/mol, XLogP of 6.25, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 15607609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).